NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 E 4.2892 8.4444 120.2302 55.7027 30.9226 175.1142 6 Q 3.8073 8.5333 123.2251 55.6245 29.4602 174.6988 7 I 3.9828 9.0720 126.9234 63.5354 39.4977 175.6485 8 L 4.4055 7.8805 118.9590 54.5961 42.5873 176.8743 9 V 4.3022 9.0382 122.0127 61.3007 33.2277 174.2615 10 L 5.0997 8.4313 127.7108 53.1008 44.1067 174.6967 11 D 5.1683 8.6940 123.8563 51.5021 43.5166 173.6832 12 P 4.6770 0.0000 0.0000 61.7729 32.1408 174.9392 13 P 4.4163 0.0000 0.0000 65.1600 31.7254 176.9199 14 S 4.7563 7.6982 109.3611 58.4411 68.5832 173.7011 15 D 5.3099 8.0383 119.9544 52.4587 44.1670 174.8953 16 L 4.4080 9.2127 124.2789 53.2750 43.2405 175.6419 17 K 5.1441 8.3701 123.7362 55.0013 34.2539 176.1736 18 F 4.9315 9.9255 122.9294 55.6313 42.2446 174.1312 19 K 4.6083 8.9417 126.4003 55.2275 32.5905 176.6210 20 G 2.4955 8.0030 116.0333 44.4019 0.0000 170.3186 21 P 4.1638 0.0000 0.0000 62.0841 32.5245 175.9512 22 F 4.8173 8.0701 116.5198 57.5010 39.8725 177.2545 23 T 4.0719 7.9286 111.5079 62.7851 69.3446 173.0856 24 D 5.0401 7.4979 120.2262 51.6373 44.8817 175.1155 25 V 4.0199 8.4135 121.1480 63.1086 32.4456 175.0673 26 V 4.4892 8.6918 127.0670 61.5368 33.9347 174.1222 27 T 5.3623 8.7059 124.2915 62.4215 70.5262 174.0981 28 T 4.6082 9.0838 121.5219 61.7788 72.4143 172.5507 29 N 5.2415 8.5306 121.0851 51.4809 41.1510 174.1134 30 L 4.4936 8.6818 125.1099 53.1038 44.7933 175.3057 31 K 4.6227 8.9669 127.7310 55.8681 33.5915 176.1621 32 L 4.8849 9.0214 126.2366 53.1324 43.8333 175.0362 33 Q 4.7717 9.0219 126.8853 54.5240 31.3701 174.0148 34 N 5.1458 9.1348 126.7924 51.5280 39.0900 173.2837 35 P 4.5041 0.0000 0.0000 63.4606 32.0315 176.8334 36 S 4.5979 8.3397 115.1436 57.6718 64.6833 173.4765 37 D 4.8301 8.4616 117.5902 53.2196 39.3015 175.9541 38 R 4.8047 7.5679 117.0703 54.3490 34.2377 175.4094 39 K 4.4606 8.6759 120.5484 56.7322 33.7249 176.0943 40 V 4.8138 8.8968 122.9933 61.4745 34.7077 174.2493 41 C 5.2142 8.9719 125.9371 59.0352 30.0222 172.7097 42 F 5.8261 9.0537 116.5762 55.5127 41.6234 173.3004 43 K 4.9764 9.2110 120.6091 55.0017 35.8084 174.7286 44 V 4.9872 8.6704 126.9473 61.3116 33.4463 174.9076 45 K 4.7618 9.0249 125.6256 55.1216 36.5848 175.0126 46 T 4.7209 7.9213 115.2851 60.6969 69.9375 173.8548 47 T 4.0268 8.2478 116.3287 62.6916 69.7093 174.6495 48 A 4.6684 7.4374 125.0891 49.6667 18.9665 174.7178 49 P 4.2880 0.0000 0.0000 65.1565 32.0139 179.8880 50 R 3.9685 7.9048 116.3845 58.2532 30.3337 177.2760 51 R 4.1061 7.9777 115.9613 56.6807 30.6222 175.0786 52 Y 5.3084 7.2997 113.6734 56.7257 42.7378 173.9605 53 C 4.9708 9.1548 118.4073 58.1735 31.0588 173.3690 54 V 4.9788 8.4890 122.0395 61.2775 34.0076 174.8090 55 R 4.7724 9.3025 126.9427 53.8496 33.6386 173.1691 56 P 4.9654 0.0000 0.0000 62.6106 32.5520 176.0197 57 N 4.9952 8.8461 117.5228 53.4033 38.6342 174.2628 58 S 4.4535 6.9242 112.3917 57.1769 65.6874 174.8705 59 G 3.6288 5.7932 106.3483 45.8466 0.0000 171.0689 60 V 4.9028 8.0401 118.2495 61.1848 34.8612 175.9958 61 I 4.6413 9.1983 128.4384 59.3889 39.8425 175.0936 62 D 4.9312 8.8107 127.2745 53.1445 42.1711 174.3772 63 P 4.4114 0.0000 0.0000 64.5235 31.5240 177.0594 64 G 3.9150 8.6630 109.0648 45.5629 0.0000 173.1437 65 S 4.8148 7.7572 115.8875 56.9671 66.0339 172.6805 66 I 5.1372 8.0573 119.7169 59.6203 41.0190 174.5355 67 V 4.5279 8.9678 121.7545 59.8783 35.3184 174.4494 68 T 4.8506 8.5658 121.5220 61.9480 70.2626 173.9342 69 V 4.2430 9.0576 127.9759 61.3496 33.7473 174.4183 70 S 4.8364 9.1110 123.7855 57.5665 63.8497 172.6937 71 V 4.7174 8.8175 128.0351 61.7734 33.4939 174.3653 72 M 5.0940 9.2931 130.1237 53.3476 33.5284 174.7989 73 L 4.1836 9.0605 127.2933 54.6738 43.0719 176.4562 74 Q 4.5617 8.3358 126.2612 54.9879 29.4321 174.6923 75 P 4.8880 0.0000 0.0000 63.4897 32.1465 175.1964 76 F 4.7313 8.4220 114.8961 56.1231 41.1524 174.1239 77 D 4.3388 8.8405 119.8351 53.9474 39.1392 174.2365 78 Y 3.9877 8.0077 126.9266 57.3394 39.2966 174.3570 79 D 4.5737 8.3540 127.4422 51.5685 41.4645 174.7545 80 P 3.5830 0.0000 0.0000 64.1322 31.4394 177.0267 81 N 4.4519 8.6629 115.7916 53.8939 38.9172 174.3449 82 E 4.3667 7.9769 120.4890 54.2178 30.2295 174.9676 83 K 4.2960 8.3161 127.7718 54.8803 33.4178 176.1828 84 S 3.8056 8.1795 119.9789 58.4842 62.5862 173.6658 85 K 4.3948 8.0171 125.2929 56.2558 33.1684 175.7402 86 H 4.6424 7.8722 116.0000 56.6763 29.9614 174.5916 87 K 5.2271 8.9908 119.9852 54.8998 36.8934 175.2317 88 F 5.1637 9.3958 120.3803 55.9587 43.2170 173.9958 89 M 5.1953 8.9075 119.5975 53.9543 35.8404 174.0012 90 V 4.7314 8.9237 126.4058 61.5615 33.7349 174.0493 91 Q 5.2659 9.1205 128.4999 54.7890 30.8165 175.1973 92 T 5.5664 9.7211 113.5670 60.5719 72.9344 172.4312 93 I 4.7024 8.3916 121.4143 59.4864 41.9760 173.9232 94 F 4.7238 8.3934 125.6622 57.0693 39.7386 175.1321 95 A 4.1523 9.1171 126.1158 51.3821 18.6334 176.1400 96 P 4.5352 0.0000 0.0000 61.3162 32.7673 174.8786 97 P 4.1726 0.0000 0.0000 65.6273 30.7052 178.0284 *100 S 4.3883 7.2919 112.1511 56.8234 65.1535 173.0007 101 D 4.9630 7.4277 116.6859 52.8077 44.7663 177.1752 102 M 4.0765 8.5713 125.7497 58.2195 32.2631 178.1655 103 E 4.0265 8.5904 118.7949 59.7400 29.5530 178.9698 104 A 4.0256 8.2894 119.8763 55.4426 18.0823 179.8173 105 V 3.3549 7.1655 115.9222 66.0860 31.7784 178.1469 106 W 4.4401 7.9450 118.5905 59.4130 28.6346 178.5879 107 K 4.1474 8.0081 117.8592 59.4942 32.3691 178.6336 108 E 4.2178 7.8888 118.1466 56.7955 29.6729 176.8696 109 A 4.2540 7.1588 123.1758 51.9328 18.9857 177.5100 110 K 4.3844 9.1169 123.3215 55.2399 33.1982 176.7976 111 P 4.3307 0.0000 0.0000 65.4503 31.5223 178.5828 112 D 4.4851 8.1264 116.5980 55.6439 39.2798 176.9093 113 E 4.3183 8.0986 118.2349 57.1574 30.0881 176.0433 114 L 4.8516 7.4278 119.0346 53.7489 43.0893 176.0773 115 M 4.9447 9.1020 122.2119 53.7103 35.6676 174.4848 116 D 5.2837 8.6090 119.9557 52.8171 45.1253 175.0355 117 S 4.9060 9.3852 117.4090 56.6766 66.8068 173.1607 118 K 5.1531 8.6451 121.0620 54.6889 35.0804 175.5407 119 L 5.0704 9.1013 123.0925 53.0082 45.9518 175.4391 120 R 4.7704 9.0037 123.6101 55.4710 31.7692 175.1556 121 C 5.2008 8.6835 123.6340 59.2046 30.0420 173.4187 122 V 4.3557 9.4196 121.4417 61.4139 34.5625 174.0335 123 F 5.7039 8.9463 127.1174 56.6722 39.8278 174.7938 124 E 4.8849 9.1345 124.8289 54.5059 32.6723 175.7171 125 M 4.2072 8.5558 122.4750 55.6626 32.5813 175.3705 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 5 E 8.44 4.29 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 6 Q 8.53 3.81 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.05 0.00 0.00 0.00 0.00 0.00 2.33 2.69 0.00 7 I 9.07 3.98 1.83 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.91 0.67 0.00 0.00 8 L 7.88 4.41 0.00 1.57 1.54 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 9 V 9.04 4.30 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.93 0.00 0.00 10 L 8.43 5.10 0.00 1.63 1.71 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.69 5.17 0.00 2.69 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.68 0.00 2.26 1.98 0.00 3.71 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.85 0.00 13 P 0.00 4.42 0.00 2.18 2.20 0.00 3.36 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.89 0.00 14 S 7.70 4.76 0.00 3.87 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.04 5.31 0.00 2.53 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 9.21 4.41 0.00 1.59 1.29 0.44 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.37 5.14 0.00 1.58 1.77 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.46 7.81 18 F 9.93 4.93 0.00 3.17 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.94 4.61 0.00 1.75 1.70 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.40 7.81 20 G 8.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.16 0.00 1.91 1.93 0.00 3.50 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.88 0.00 22 F 8.07 4.82 0.00 2.57 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 T 7.93 4.07 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 24 D 7.50 5.04 0.00 2.63 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.41 4.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.97 0.00 0.00 26 V 8.69 4.49 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.96 0.00 0.00 27 T 8.71 5.36 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 28 T 9.08 4.61 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 29 N 8.53 5.24 0.00 2.51 2.65 0.00 0.00 6.68 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.68 4.49 0.00 1.51 1.35 0.87 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.97 4.62 0.00 1.85 1.66 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.36 7.81 32 L 9.02 4.88 0.00 1.35 1.35 0.02 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 9.02 4.77 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 34 N 9.13 5.15 0.00 2.89 2.74 0.00 0.00 6.59 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 P 0.00 4.50 0.00 2.24 2.31 0.00 3.93 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.96 0.00 36 S 8.34 4.60 0.00 4.09 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.46 4.83 0.00 2.78 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 7.57 4.80 0.00 1.65 1.83 0.00 2.72 0.00 0.00 2.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.42 0.00 39 K 8.68 4.46 0.00 1.75 1.77 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.81 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.70 1.47 7.81 40 V 8.90 4.81 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.05 0.00 0.00 41 C 8.97 5.21 0.00 2.66 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 9.05 5.83 0.00 3.16 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 K 9.21 4.98 0.00 1.36 0.96 0.00 1.11 0.00 0.00 0.92 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.83 1.09 7.81 44 V 8.67 4.99 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.18 0.00 0.00 45 K 9.02 4.76 0.00 1.61 1.52 0.00 1.65 0.00 0.00 1.48 0.00 0.00 2.70 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.22 1.24 7.81 46 T 7.92 4.72 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 47 T 8.25 4.03 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 48 A 7.44 4.67 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.29 0.00 2.19 2.27 0.00 3.69 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.93 0.00 50 R 7.90 3.97 0.00 1.77 1.99 0.00 3.16 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 51 R 7.98 4.11 0.00 1.61 1.29 0.00 3.02 0.00 0.00 3.00 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.51 0.00 52 Y 7.30 5.31 0.00 3.07 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 C 9.15 4.97 0.00 2.94 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.49 4.98 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.24 0.00 0.00 55 R 9.30 4.77 0.00 1.76 1.82 0.00 3.22 0.00 0.00 3.26 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 56 P 0.00 4.97 0.00 2.42 2.14 0.00 3.86 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.17 0.00 57 N 8.85 5.00 0.00 2.84 3.32 0.00 0.00 5.58 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 6.92 4.45 0.00 3.93 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 5.79 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.04 4.90 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.90 0.00 0.00 61 I 9.20 4.64 1.98 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.09 0.95 0.00 0.00 62 D 8.81 4.93 0.00 2.71 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.41 0.00 2.19 2.13 0.00 3.83 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 64 G 8.66 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.76 4.81 0.00 3.92 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 I 8.06 5.14 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.98 0.90 0.00 0.00 67 V 8.97 4.53 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.78 0.00 0.00 68 T 8.57 4.85 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 69 V 9.06 4.24 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.79 0.00 0.00 70 S 9.11 4.84 0.00 3.93 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.82 4.72 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.63 0.00 0.00 72 M 9.29 5.09 0.00 2.06 2.24 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.53 0.00 73 L 9.06 4.18 0.00 1.53 1.73 0.10 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 8.34 4.56 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.67 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 75 P 0.00 4.89 0.00 2.11 2.21 0.00 3.83 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 76 F 8.42 4.73 0.00 3.03 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.84 4.34 0.00 2.66 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 8.01 3.99 0.00 2.75 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.35 4.57 0.00 2.70 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 3.58 0.00 2.22 2.15 0.00 3.19 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.89 0.00 81 N 8.66 4.45 0.00 2.76 2.87 0.00 0.00 6.82 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 E 7.98 4.37 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.20 0.00 83 K 8.32 4.30 0.00 1.72 1.64 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.39 1.42 7.81 84 S 8.18 3.81 0.00 2.72 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 K 8.02 4.39 0.00 1.64 1.71 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 1.38 7.81 86 H 7.87 4.64 0.00 3.19 3.25 0.00 5.63 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.99 5.23 0.00 1.62 1.71 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.55 7.81 88 F 9.40 5.16 0.00 2.86 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 M 8.91 5.20 0.00 2.03 1.83 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.45 0.00 90 V 8.92 4.73 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.93 0.00 0.00 91 Q 9.12 5.27 0.00 1.89 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.48 0.00 0.00 0.00 0.00 0.00 2.50 2.21 0.00 92 T 9.72 5.57 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 93 I 8.39 4.70 1.77 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.54 0.31 0.00 0.00 94 F 8.39 4.72 0.00 3.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 9.12 4.15 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 P 0.00 4.54 0.00 2.14 2.03 0.00 3.65 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.85 0.00 97 P 0.00 4.17 0.00 2.04 2.13 0.00 3.68 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 *100 S 7.29 4.39 0.00 3.87 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 D 7.43 4.96 0.00 2.74 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 M 8.57 4.08 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.56 0.00 103 E 8.59 4.03 0.00 2.21 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 104 A 8.29 4.03 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 V 7.17 3.35 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.81 0.00 0.00 106 W 7.95 4.44 0.00 3.49 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 K 8.01 4.15 0.00 1.99 2.00 0.00 1.62 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.59 7.81 108 E 7.89 4.22 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 109 A 7.16 4.25 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 K 9.12 4.38 0.00 1.85 1.92 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.42 7.81 111 P 0.00 4.33 0.00 2.20 2.12 0.00 3.62 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 112 D 8.13 4.49 0.00 2.81 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 E 8.10 4.32 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 114 L 7.43 4.85 0.00 1.74 1.65 1.06 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 115 M 9.10 4.94 0.00 1.88 1.86 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 116 D 8.61 5.28 0.00 2.50 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 9.39 4.91 0.00 3.67 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 K 8.65 5.15 0.00 1.60 1.69 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.43 7.81 119 L 9.10 5.07 0.00 1.60 1.50 0.91 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 120 R 9.00 4.77 0.00 1.87 2.00 0.00 3.07 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 121 C 8.68 5.20 0.00 2.97 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 V 9.42 4.36 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.97 0.00 0.00 123 F 8.95 5.70 0.00 3.16 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 9.13 4.88 0.00 2.17 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 125 M 8.56 4.21 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.63 0.00 * Residues marked with a * may have inaccurate shift predictions.